UCSF

ZINC35017687

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 No

Popular Name: 2-[(Z)-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-dioxo-BLAHyl]-N,N-dimethyl-2-oxo-acetamide 2-[(Z)-[[(4-fluorophenyl)methyla…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.41 0.78 -21.37 2 11 0 132 472.477 4 ↓
Mid Mid (pH 6-8) -1.41 1.42 -61.97 1 11 -1 134 471.469 4 ↓
Lo Low (pH 4.5-6) -1.41 2.51 -39.53 3 11 1 133 473.485 4 ↓
Lo Low (pH 4.5-6) -1.41 3.46 -107.31 4 11 2 134 474.493 4 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )